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This article reviews recent theoretical developments in the ab initio study of polarons in materials. The polaron is an emergent quasiparticle that arises from the interaction between electrons and phonons in solids, and consists of an…

Materials Science · Physics 2025-12-09 Zhenbang Dai , Jon Lafuente-Bartolome , Feliciano Giustino

The formation of polarons is a pervasive phenomenon in transition metal oxide compounds, with a strong impact on the physical properties and functionalities of the hosting materials. In its original formulation the polaron problem considers…

Materials Science · Physics 2019-02-18 Michele Reticcioli , Ulrike Diebold , Georg Kresse , Cesare Franchini

Polarons are composite quasiparticles comprising electronic charge carriers taken together with the alterations they induce in surrounding condensed matter. Strong-coupling polarons form when electronic charge carriers become self-trapped:…

Strongly Correlated Electrons · Physics 2022-05-09 David Emin

Polarons can naturally form in materials from the interaction of extra charge carriers with the atomic lattice. Ubiquitous, they are central to various topics and phenomena such as high-T$_c$ superconductivity, electrochromism,…

Materials Science · Physics 2024-11-05 Hamideh Hassani , Eric Bousquet , Xu He , Bart Partoens , Philippe Ghosez

A single electron in one dimensional lattice is considered within the framework of extended Holstein model at strong-coupling limit. Disordered density-displacement type electron-phonon interaction is proposed. Basic parameters of small…

Strongly Correlated Electrons · Physics 2014-08-21 Bakhrom Yavidov

A conduction electron (or hole) together with its self-induced polarisation in a polar semiconductor or an ionic crystal forms a quasi-particle, which is called a polaron. The polaron concept is of interest, not only because it describes…

Strongly Correlated Electrons · Physics 2007-05-23 J. T. Devreese

Polarons are entities of excess electrons dressed with local response of lattices, whose atomic-scale characterization is essential for understanding the many body physics arising from the electron-lattice entanglement, but yet difficult to…

Mesoscale and Nanoscale Physics · Physics 2023-07-12 Min Cai , Yunfan Liang , Zeyu Jiang , Mao-Peng Miao , Zhen-Yu Liu , Wen-Hao Zhang , Xin Liao , Wei Cheng , Damien West , Shengbai Zhang , Ying-Shuang Fu

The formation of polarons due to the interaction between charge carriers and the crystal lattice has been proposed to have wide-ranging effects on charge carrier dynamics in lead--halide perovskites (LHPs). The hypothesis underlying many of…

Materials Science · Physics 2021-07-14 Matthew J. Wolf , Lewis A. D. Irvine , Alison B. Walker

The polaron is the archetypal example of a quasiparticle emerging from the interaction between fermionic and bosonic fields in quantum field theory. In crystalline solids, polarons are formed when electrons and holes become dressed by the…

Materials Science · Physics 2023-02-17 Weng Hong Sio , Feliciano Giustino

We demonstrate the formation of ferroelectric domain-wall polarons in a minimal two-dimensional lattice model of electrons interacting with rotating dipoles. Along the domain-wall, the rotors polarize in opposite directions, causing the…

Mesoscale and Nanoscale Physics · Physics 2025-03-20 Florian Kluibenschedl , Georgios M. Koutentakis , Ragheed Alhyder , Mikhail Lemeshko

The effect of a solid-vacuum interface on the properties of a strongly coupled electron-phonon system is analyzed using dynamical mean-field theory to solve the Holstein model in a semi-infinite cubic lattice. Polaron formation is found to…

Strongly Correlated Electrons · Physics 2015-05-13 Reza Nourafkan , Massimo Capone , Nasser Nafari

Materials containing high densities of exceptionally displaceable ions (e.g. perovskites) have extremely large ratios of their static to high-frequency dielectric constants, > 2. Large polarons form in such materials as their electronic…

Superconductivity · Physics 2020-08-26 David Emin

By considering a metal/polymer/metal structure within a tight-binding one-dimensional model, we have investigated the polaron formation in the presence of an electric field. When a sufficient voltage bias is applied to one of the metal…

Strongly Correlated Electrons · Physics 2009-11-10 C. Q. Wu , Y. Qiu , K. Nasu

The behavior of charge carriers in polar materials is governed by electron-phonon interactions, which affect their mobilities via phonon scattering and may localize carriers into self-induced deformation fields, forming self-trapped…

Materials Science · Physics 2025-07-08 Vasilii Vasilchenko , Matteo Giantomassi , Samuel Poncé , Xavier Gonze

A polaron is an electron interacting with a polar crystal, which is able to form a bound state by using the distortions of the crystal induced by its own density of charge. In this paper we derive Pekar's famous continuous model for…

Mathematical Physics · Physics 2013-11-08 Mathieu Lewin , Nicolas Rougerie

Subwavelength arrays of atoms trapped in optical lattices or tweezers are inherently susceptible to deformations: Optomechanical forces produce lattice distortions, which, in turn, modify the optical response of the array. We show that this…

Small polaron formation is dominant across a range of condensed matter systems. Small polarons are usually studied in terms of ground-state transport and thermal fluctuations, but small polarons can also be created impulsively by…

Materials Science · Physics 2023-07-17 Ye-Jin Kim , Jocelyn L. Mendes , Young Jai Choi , Scott K. Cushing

Small polaron behavior in a two dimensional honeycomb net is studied by applying the strong coupling perturbative method to the Holstein molecular crystal model. We find that small optical polarons can be mobile also if the electrons are…

Superconductivity · Physics 2009-11-07 Marco Zoli

Electronic states in a crystal can localize due to strong electron-phonon (e-ph) interactions, forming so-called small polarons. Methods to predict the formation and energetics of small polarons are either computationally costly or not…

Materials Science · Physics 2021-06-30 Nien-En Lee , Hsiao-Yi Chen , Jin-Jian Zhou , Marco Bernardi

Polarons are quasiparticles that arise from the interaction of electrons or holes with lattice vibrations. Though polarons are well-studied across multiple disciplines, experimental observations of polarons in two-dimensional crystals are…

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